SCHEMBL22201737

SCHEMBL22201737

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.67
CTSK P43235 5/20 0.67
TSHR P16473 1/20 0.56
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
KLK5 Q9Y337 1/20 0.54
MDM4 O15151 1/20 0.53
MDM2 Q00987 1/20 0.53
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LNPEP Q9UIQ6 1/20 0.50
IL1RN P18510 2/20 0.48
ERAP2 Q6P179 2/20 0.48
REN P00797 1/20 0.48
BCL2 P10415 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22191071 1.00 CTSS (0.67) CTSSCTSKTSHRCTSLCTSB
SCHEMBL22191069 1.00 CTSS (0.67) CTSSCTSKTSHRCTSLCTSB
SCHEMBL29586741 0.95 CTSS (0.65) CTSSCTSKTSHRCTSLCTSB
SCHEMBL30374091 0.95 CTSS (0.66) CTSSCTSKTSHRCTSLCTSB
SCHEMBL2574440 0.95 CTSS (0.66) CTSSCTSKTSHRCTSLCTSB
SCHEMBL539575 0.95 CTSS (0.66) CTSSCTSKTSHRCTSLCTSB
SCHEMBL539574 0.95 CTSS (0.66) CTSSCTSKTSHRCTSLCTSB
SCHEMBL30468587 0.93 CTSS (0.62) CTSSCTSKTSHRCTSLCTSB
SCHEMBL3729927 0.92 CTSS (0.59) CTSSCTSKTSHRCTSLCTSB
SCHEMBL3729929 0.92 CTSS (0.59) CTSSCTSKTSHRCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336575-A1 POLYTHIOL COMPOUNDS AND PROCESS FOR PREPARATION THEREOF HENKEL AG & CO KGAA (DE) 2024-10-10 US disclosed
CN-118401498-A Polythiol compound and process for producing the same 汉高股份有限及两合公司 2024-07-26 CN disclosed
EP-4198028-B1 POLYTHIOL COMPOUNDS AND PROCESS FOR PREPARATION THEREOF HENKEL AG & CO KGAA (DE) 2024-07-17 EP disclosed
US-20230242491-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS ZYMERGEN INC. (US) 2023-08-03 US disclosed
US-20230242720-A1 MODULUS MODIFIERS AND FILMS THEREOF ZYMERGEN ACQUISITION SUB, INC. 2023-08-03 US disclosed
WO-2023110271-A1 POLYTHIOL COMPOUNDS AND PROCESS FOR PREPARATION THEREOF HENKEL AG & CO. KGAA (DE) 2023-06-22 WO disclosed
EP-4198028-A1 POLYTHIOL COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Henkel AG & Co. KGaA (DE) 2023-06-21 EP disclosed
WO-2022006023-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS ZYMERGEN INC. (US) 2022-01-06 WO disclosed
WO-2022006145-A1 MODULUS MODIFIERS AND FILMS THEREOF ZYMERGEN INC. (US) 2022-01-06 WO disclosed
WO-2020142450-A1 POLYMER COMPOSITIONS COMPRISING COMPOUNDS DERIVED FROM BIOLOGY ZYMERGEN INC. (US) 2020-07-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240336575-A1 POLYTHIOL COMPOUNDS AND PROCESS FOR PREPARATION THEREOF VRK2, VRK1, PTMS CTSS 1583/4885CTSK 1587/4885TSHR 932/4885
US-20230242491-A1 DIMERS FROM BIOREACHABLE MOLECULES AS COPOLYMERS HDHD5, HAO2, ALAD CTSS 2969/4885CTSK 3611/4885TSHR 4540/4885
US-20230242720-A1 MODULUS MODIFIERS AND FILMS THEREOF SHBG, PTMS, SERPINA6 CTSS 4283/4885CTSK 3923/4885TSHR 4054/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.